5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid

C11H7F2N3O2 — CID 66652343

IUPAC5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1cnc(-c2c(F)cccc2F)nc1C(=O)O
InChIInChI=1S/C11H7F2N3O2/c12-5-2-1-3-6(13)8(5)10-15-4-7(14)9(16-10)11(17)18/h1-4H,14H2,(H,17,18)
InChIKeyFEVPVEKDQNSDEK-UHFFFAOYSA-N
MW251.19 g/mol
LogP1.70
Rot. Bonds2

About 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid

5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 66652343) has the molecular formula C11H7F2N3O2 and a molecular weight of 251.19 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID66652343
Molecular FormulaC11H7F2N3O2
Molecular Weight251.19 g/mol
Exact Mass251.05
IUPAC Name5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1cnc(-c2c(F)cccc2F)nc1C(=O)O
InChIInChI=1S/C11H7F2N3O2/c12-5-2-1-3-6(13)8(5)10-15-4-7(14)9(16-10)11(17)18/h1-4H,14H2,(H,17,18)
InChIKeyFEVPVEKDQNSDEK-UHFFFAOYSA-N
XLogP1.70
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid (CID 66652343) is 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid is Nc1cnc(-c2c(F)cccc2F)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is FEVPVEKDQNSDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O2/c12-5-2-1-3-6(13)8(5)10-15-4-7(14)9(16-10)11(17)18/h1-4H,14H2,(H,17,18).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid?
5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 251.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 66652343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).